4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one

C15H21N3OS — CID 18934859

IUPAC4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one
SMILESCCCC1(CCC)N=C(SCc2ccccn2)NC1=O
InChIInChI=1S/C15H21N3OS/c1-3-8-15(9-4-2)13(19)17-14(18-15)20-11-12-7-5-6-10-16-12/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,18,19)
InChIKeyGGIHXTRXYFKWNR-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.14
Rot. Bonds6

About 4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one

4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one (PubChem CID 18934859) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one
PubChem CID18934859
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one
SMILESCCCC1(CCC)N=C(SCc2ccccn2)NC1=O
InChIInChI=1S/C15H21N3OS/c1-3-8-15(9-4-2)13(19)17-14(18-15)20-11-12-7-5-6-10-16-12/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,18,19)
InChIKeyGGIHXTRXYFKWNR-UHFFFAOYSA-N
XLogP3.14
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 19829479
2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
CID 86021150
4-propyl-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one
CID 17435353
4-ethyl-5-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135400715
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135772618
2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(pyridin-2-ylmethylsulfanyl)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]sulfanylmethyl]pyridine
CID 102527244
2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride
CID 13058753
5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one
CID 135989212
4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 19850830
1-methyl-2-(pyridin-2-ylmethylsulfanyl)pyridin-1-ium chloride
CID 13434869
2-[(2,3,4,5,6-pentafluorophenyl)sulfanylmethyl]pyridine;hydrochloride
CID 12760224

Frequently Asked Questions

What is the IUPAC name of 4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one?
The IUPAC name of 4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one (CID 18934859) is 4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one.
What is the SMILES notation for 4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one?
The canonical SMILES for 4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one is CCCC1(CCC)N=C(SCc2ccccn2)NC1=O.
What is the InChIKey of 4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one?
The InChIKey is GGIHXTRXYFKWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-8-15(9-4-2)13(19)17-14(18-15)20-11-12-7-5-6-10-16-12/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,18,19).
What are the key properties of 4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one?
4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one has a molecular weight of 291.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dipropyl-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazol-5-one is sourced from PubChem (CID 18934859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).